SCHEMBL10426329

SCHEMBL10426329

C=Cc1nccc(C)c1C=C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
NOS2 P35228 4/20 0.35
NOS3 P29474 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
PDXK O00764 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26849033 0.84 CCR1 (0.32) CCR1CCR5CCR8NOS2NOS3
SCHEMBL18754159 0.83 NOS2 (0.34) CCR1CCR5CCR8NOS2NOS3
SCHEMBL15417589 0.82 CCR1 (0.39) CCR1CCR5CCR8NOS2NOS3
SCHEMBL9160147 0.82 NOS2 (0.48) CCR1CCR5CCR8NOS2NOS3
SCHEMBL25627501 0.80 CCR1 (0.38) CCR1CCR5CCR8NOS2NOS3
SCHEMBL8437176 0.79 GRM4 (0.45) L3MBTL1
SCHEMBL8432596 0.79 MLYCD (0.36)
SCHEMBL2909172 0.77 CCR1 (0.35) CCR1CCR5CCR8NOS2NOS3
SCHEMBL31703268 0.77 CCR1 (0.35) CCR1CCR5CCR8NOS2NOS3
SCHEMBL12439413 0.77 NOS2 (0.54) CCR1CCR5CCR8NOS2NOS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085030-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIVINYL PYRIDINES, AND SUBSTITUTED DIVINYL PYRIDINES CIBA-GEIGY AG (CH) 1985-05-22 EP claimed
US-4943482-A ADDITION COPOLYMER WITH SILVER OR PALLADIUM COATING RHONE-POULENC CHIMIE (FR) 1990-07-24 US disclosed
EP-0311476-A1 Metallized particles of crosslinked functional polymers, their preparation and their use in producing electroconductive materials RHONE-POULENC CHIMIE (FR) 1989-04-12 EP disclosed